N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC=C3CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC=C3CC)C

InChI

InChI=1S/C21H24N4OS/c1-4-15-9-11-17(12-10-15)20-23-21(25-24-20)27-13-18(26)22-19-14(3)7-6-8-16(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,24,25)